5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine hydrogen chloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine hydrogen chloride
• 英文别名: 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine hydrochloride；5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;hydrochloride
• 化学式: C₁₈H₁₈ClF₅N₆O*ClH
• 分子量: 501.286
• InChiKey: HAFUDZOLFLXVIY-FVGYRXGTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  76.4
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine hydrogen chloride 、 丁二酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 以73%的产率得到5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine succinic acid salt
  参考文献：
  名称：

  [EN] 6-[(SUBSTITUTED)PHENYL]TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS
  [FR] 6-[(SUBSTITUTEES)PHENYL]TRIAZOLOPYRIMIDINES UTILISEES EN TANT QU'AGENT ANTICANCEREUX

  摘要：

  本发明涉及某些6-[(取代)苯基]三唑吡咯嗪化合物或其药用盐，以及含有所述化合物或其药用盐的组合物，其中所述化合物是对哺乳动物中的癌症具有治疗作用的抗癌剂。本发明还涉及一种治疗或抑制哺乳动物中癌症肿瘤细胞及相关疾病生长的方法，并进一步提供了一种治疗或预防表达多药耐药性（MDR）或因MDR而具有耐药性的癌症肿瘤的方法，该方法包括向该哺乳动物施用所述化合物或其药用盐的有效量。本发明涉及一种通过促进微管聚合来治疗或抑制哺乳动物中癌症肿瘤细胞及相关疾病生长的方法，该方法包括向该哺乳动物施用所述化合物及其药用盐的有效量。

  公开号：

  WO2005030775A1
• 作为产物：
  描述：

  西维布林 在 盐酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以provides 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine hydrogen chloride salt as a light yellow solid (2.92 g)的产率得到5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine hydrogen chloride
  参考文献：
  名称：

  Crystalline forms of 5-Chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine salts

  摘要：

  本发明涉及5-氯-6-{2,6-二氟-4-[3-(甲基氨基)丙氧基]苯基}-N-[(1S)-2,2,2-三氟甲基乙基][1,2,4]三唑[1,5-a]嘧啶-7-胺盐的晶体形态；其生产过程；药物组成物；以及用于抑制肿瘤生长的方法。

  公开号：

  US20070060597A1

文献信息

• Cannabinoid derivatives, methods of making, and use thereof
  申请人：——

  公开号：US20040242593A1

  公开（公告）日：2004-12-02

  1′-substituted cannabinoid derivatives of delta-8-tetrahydrocannabinol, delta-9-tetrahydrocannabinol, and delta-6a-10a-tetrahydrocannabinol that have affinity for the cannabinoid receptor type-1 (CB-1) and/or cannabinoid receptor type-2 (CB-2). Compounds having activity as either agonists or antagonists of the CB-1 and/or CB-2 receptors can be used for treating CB-1 or CB-2 mediated conditions.

  1′-取代的大麻素衍生物，包括Δ-8-四氢大麻酚、Δ-9-四氢大麻酚和Δ-6a-10a-四氢大麻酚，它们对大麻素受体类型-1（CB-1）和/或大麻素受体类型-2（CB-2）具有亲和力。具有作为CB-1和/或CB-2受体的激动剂或拮抗剂活性的化合物可用于治疗CB-1或CB-2介导的病症。
• Pyridazinones and triazinones and medicinal use thereof
  申请人：——

  公开号：US20030225081A1

  公开（公告）日：2003-12-04

  The present invention provides a novel compound exhibiting an excellent inhibitory action on AMPA receptor and/or kainate receptor. That is, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. 1 In the formula, A 1 , A 2 and A 3 are independent of each other and each represents a C 3-8 cycloalkyl group, a C 3-8 cycloalkenyl group, a 5- to 14-membered non-aromatic heterocyclic group, a C 6-14 aromatic hydrocarbon cyclic group or a 5- to 14-membered aromatic heterocyclic group, each of which may be substituted; Q represents O, S or NH; Z represents C or N; X 1 , X 2 and X 3 are independent of each other and each represents a single bond, an optionally substituted C 1-6 alkylene group, an optionally substituted C 2-6 alkenylene group, an optionally substituted C 2-6 alkynylene group, —NH—, —O—, —NHCO—, —CONH—, —SO 0-2 , etc.; R 1 and R 2 are independent of each other and each represents a hydrogen atom or an optionally substituted C 1-6 alkyl group, or R 1 and R 2 may be bound together such that CR 2 -ZR 1 forms C═C; and R 3 represents a hydrogen atom or an optionally substituted C 1-6 alkyl group etc., or may be bound to any atom in A 1 or A 3 to form, together with the atom, an optionally substituted C 5-8 hydrocarbon ring or an optionally substituted 5- to 8-membered heterocyclic ring.

  本发明提供了一种在AMPA受体和/或翘曲酸受体上表现出优异的抑制作用的新型化合物。也就是说，它提供了以下公式所代表的化合物、其盐或其水合物。在该公式中，A1、A2和A3彼此独立，每个代表一个C3-8环烷基、一个C3-8环烯基、一个5-至14-成员非芳香杂环基、一个C6-14芳香烃环基或一个5-至14-成员芳香杂环基，每个都可以被取代；Q代表O、S或NH；Z代表C或N；X1、X2和X3彼此独立，每个代表一个单键，一个可选择取代的C1-6烷基基团，一个可选择取代的C2-6烯基基团，一个可选择取代的C2-6炔基基团，—NH—、—O—、—NHCO—、—CONH—、—SO0-2等；R1和R2彼此独立，每个代表一个氢原子或一个可选择取代的C1-6烷基基团，或者R1和R2可以结合在一起，使得CR2-ZR1形成C═C；和R3代表一个氢原子或一个可选择取代的C1-6烷基基团等，或者可以与A1或A3中的任何原子结合，与该原子一起形成一个可选择取代的C5-8碳氢环或一个可选择取代的5-至8-成员杂环环。
• DIOXAANTHANTHRENE-BASED COMPOUND, LAMINATED STRUCTURE AND MOLDING METHOD THEREOF, AND ELECTRONIC DEVICE AND PRODUCTION METHOD THEREOF
  申请人：Sony Corporation

  公开号：EP2767540A1

  公开（公告）日：2014-08-20

  Provided is a dioxaanthanthrene compound represented by, for example, the following structural formula (1).

  提供的是一种二氧蒽化合物，例如，可以用以下结构式（1）表示。
• 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents
  申请人：Zhang Nan

  公开号：US20050090508A1

  公开（公告）日：2005-04-28

  This invention relates to certain 6-[(substituted)phenyl]triazolopyrimidine compounds or pharmaceutically acceptable salts thereof, and compositions containing said compounds or pharmaceutically acceptable salts thereof, wherein said compounds are anti-cancer agents useful for the treatment of cancer in mammals. This invention further relates to a method of treating or inhibiting the growth of cancerous tumor cells and associated diseases in a mammal and further provides a method for the treatment or prevention of cancerous tumors that express multiple drug resistance (MDR) or are resistant because of MDR, in a mammal in need thereof which method comprises administering to said mammal an effective amount of said compounds or pharmaceutically acceptable salts thereof. The present invention relates to a method of treating or inhibiting the growth of cancerous tumor cells and associated diseases in a mammal in need thereof by promotion of microtubule polymerization which comprises administering to said mammal an effective amount of said compounds and pharmaceutically acceptable salts thereof.

  本发明涉及某些6-[(取代)苯基]三唑嘧啶化合物或其药学上可接受的盐，以及含有该化合物或其药学上可接受的盐的组合物，其中该化合物是对哺乳动物癌症治疗有用的抗癌剂。本发明还涉及一种用于治疗或抑制哺乳动物中癌细胞肿瘤的生长和相关疾病的方法，并进一步提供了一种用于治疗或预防因多药耐药（MDR）而表达多重药物抗性的癌性肿瘤的方法，该方法包括向所述哺乳动物中需要的部位注射所述化合物或其药学上可接受的盐的有效量。本发明还涉及一种通过促进微管聚合来治疗或抑制哺乳动物中癌细胞肿瘤的生长和相关疾病的方法，该方法包括向所述哺乳动物中注射所述化合物及其药学上可接受的盐的有效量。
• Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations
  申请人：Nagato Satoshi

  公开号：US20060189622A1

  公开（公告）日：2006-08-24

  The present invention provides a novel compound exhibiting an excellent inhibitory action on AMPA receptor and/or kainate receptor. That is, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. In the formula, A 1 , A 2 and A 3 are independent of each other and each represents a C 3-8 cycloalkyl group, a C 3-8 cycloalkenyl group, a 5- to 14-membered non-aromatic heterocyclic group, a C 6-14 aromatic hydrocarbon cyclic group or a 5- to 14-membered aromatic heterocyclic group, each of which may be substituted; Q represents O, S or NH; Z represents C or N; X 1 , X 2 and X 3 are independent of each other and each represents a single bond, an optionally substituted C 1-6 alkylene group, an optionally substituted C 2-6 alkenylene group, an optionally substituted C 2-6 alkynylene group, —NH—, —O—, —NHCO—, —CONH—, —SO 0-2 —, etc.; R 1 and R 2 are independent of each other and each represents a hydrogen atom or an optionally substituted C 1-6 alkyl group, or R 1 and R 2 may be bound together such that CR 2 -ZR 1 forms C═C; and R 3 represents a hydrogen atom or an optionally substituted C 1-6 alkyl group etc., or may be bound to any atom in A 1 or A 3 to form, together with the atom, an optionally substituted C 5-8 hydrocarbon ring or an optionally substituted 5- to 8-membered heterocyclic ring.

  本发明提供了一种新型化合物，它表现出对AMPA受体和/或kainate受体的优异抑制作用。即，它提供了由以下公式表示的化合物，其盐或水合物。在该公式中，A1、A2和A3相互独立，每个表示C3-8环烷基、C3-8环烯基、5-至14元非芳杂环基、C6-14芳香烃环基或5-至14元芳香杂环基，每个都可以被取代；Q表示O、S或NH；Z表示C或N；X1、X2和X3相互独立，每个表示单键、可选取代的C1-6烷基、可选取代的C2-6烯基、可选取代的C2-6炔基、—NH—、—O—、—NHCO—、—CONH—、—SO0-2—等；R1和R2相互独立，每个表示氢原子或可选取代的C1-6烷基，或者R1和R2可以结合在一起，使CR2-ZR1形成C═C；R3表示氢原子或可选取代的C1-6烷基等，或者可以与A1或A3中的任何原子结合，在一起形成可选取代的C5-8碳氢环或可选取代的5-至8元杂环。